3-Chlorophthalic anhydride

HCID 67014CAS 117-21-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1OC(=O)c2c(Cl)cccc21
InChIKey
UERPUZBSSSAZJE-UHFFFAOYSA-N
Molecular formula
C8H3ClO3
Average molar mass
182.56 g/mol
Monoisotopic mass
181.97707164

Names & identifiers

Preferred name
3-Chlorophthalic anhydride
IUPAC
4-chloro-2-benzofuran-1,3-dione
English name
3-CHLOROPHTHALIC ANHYDRIDE
Molecular formula
C8H3ClO3
Molecular weight
182.56

Names & synonyms

3-Chlorophthalic anhydride117-21-54-chloroisobenzofuran-1,3-dione4-chloro-2-benzofuran-1,3-dioneUNII-VO7NXT0137Phthalic anhydride, 3-chloro-VO7NXT0137EINECS 204-179-8NSC-122937DTXSID10151653EC 204-179-8NSC 122937
Show more names
Ktoyupd3-CHLOROPHTHALIC3 -Chlorophthalic anhydrid3-CHLOROPHTHALIC ANHYDRIDE 98%4-Chloro-1,3-isobenzofurandione3-CHLOROPHTHALIC ANHYDRIDE, 95+%3-Chlorophthalic anhydride, tech
RefChem:93531DTXCID4074144204-179-8InChI=1/C8H3ClO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-33-chlorophthalic acid anhydride1,3-Isobenzofurandione, 4-chloro-MFCD000231074-chloro-1,3-dihydro-2-benzofuran-1,3-dione

Database identifiers

CAS
117-21-5
PubChem CID
67014
DTXSID
DTXSID10151653
UNII
VO7NXT0137
EC Number
204-179-8
Nikkaji
J141.264G

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
123 · 123-126 °C
Boiling point
170 °C · 170°C(lit.)
Density
1.594 · 1.594±0.06 g/cm3(Predicted)
vapor pressure
0.02 · 0.02-0.08Pa at 25℃
storage temp.
Inert atmosphere,Room Temperature
form
Crystalline Powder and Chunks

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Regulation (EC) No 1935/2004 (amended)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Cease Manufacture Update: 18-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11567

Hazard Classes and CategoriesAcute Tox. 3 (14.3%)

Safety data

tsca
TSCA listed
hs_code
29173995
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xi

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Isobenzofurandione, 4-chloro-: ACTIVE

Applications

Uses3-chlorophthalic anhydride is mainly used for the synthesis of polyimide engineering plastic properties. Also be used as drug or pesticide intermediates.

Upstream & downstream products

Suppliers50 total

南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

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Linked notes

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